N-(2-methoxy-5-nitrophenyl)-2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
N-(2-methoxy-5-nitrophenyl)-2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
Compound characteristics
| Compound ID: | C096-0093 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide |
| Molecular Weight: | 628.68 |
| Molecular Formula: | C27 H28 N6 O8 S2 |
| Smiles: | Cc1c(c2C(N(CC(Nc3cc(ccc3OC)[N+]([O-])=O)=O)C=Nc2s1)=O)S(N1CCN(CC1)c1ccccc1OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5121 |
| logD: | 2.4976 |
| logSw: | -3.0449 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 132.005 |
| InChI Key: | XIMBRCVAFIPCAZ-UHFFFAOYSA-N |